Energetic Stability of Vacancy‐Carbon Clusters in Solid Solution Alloys: The Fe‐Cr‐C Case
Energetic Stability of Vacancy‐Carbon Clusters in Solid Solution Alloys: The Fe‐Cr‐C Case
复制标题
固溶体合金中空位碳簇的能量稳定性：Fe-Cr-C 案例
DOI：
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发表时间：
2019
期刊：
影响因子：
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通讯作者：
D. Terentyev
中科院分区：
文献类型：
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作者：
G. Bonny;A. Bakaev;D. Terentyev
在含碳合金中，空位碳（v-C）团簇的能量稳定性在辐照后损伤恢复中起着关键作用。到目前为止，所有对辐照后退火实验的解释都是基于为铁碳合金建立的理论知识。对于高铬钢的解释，在固溶体背景存在下v-C簇的稳定性是必不可少的。因此，提出了一个简单而有效的模型来估计随机固溶体合金中v-C团簇的稳定性。使用密度泛函理论对Fe-Cr-C合金的模型进行参数化。结果进行了讨论占现有的实验证据。
In carbon‐containing alloys, the energetic stability of vacancy‐carbon (v‐C) clusters plays a key role in the post‐irradiation damage recovery. So far, all interpretations of post‐irradiation annealing experiments are based on the theoretical knowledge established for the iron‐carbon alloy. For the interpretation of high‐Cr steels, the stability of v‐C clusters in the presence of a solid solution background is essential. Therefore, a simple and efficient model to estimate the stability of v‐C clusters in random solid solution alloys is proposed. The model is parameterized for the Fe‐Cr‐C alloy using density functional theory. The results are discussed accounting for available experimental evidences.
影响因子：
3.7
作者：
Hepburn, Derek J.;Ackland, Graeme J.
通讯作者：
Ackland, Graeme J.